Geometry & MOs

Info

ID:	441561
PubChem CID:	135236138
Reduced:	S2N4O5H20C24 (1)
Stoich.:	A2B4C5D20E24 (1)
Weight, g/mol:	427.114376
ΔH_f, kcal/mol:	-80.59
Dipole, Da:	7.78
IP(EA), eV:	-8.86(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-nitro-1-[3-[2-(trifluoromethyl)phenyl]phenyl]-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC2=C(C=C1)C=C(N2C3=CC(=CC=C3)S(=O)(=O)C4=CC=CC(=C4)CC#N)C(=O)N

DOS

IR

Vibrations